==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-SEP-11 3TQX . COMPND 2 MOLECULE: 2-AMINO-3-KETOBUTYRATE COENZYME A LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR J.CHEUNG,M.FRANKLIN,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN,J . 792 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 596 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 62 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 281 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 5 2 2 1 1 1 4 1 0 2 5 1 2 2 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 0 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A X > 0 0 40 0, 0.0 4,-1.4 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -50.3 45.2 47.7 22.3 2 2 A Q H > + 0 0 156 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.851 360.0 67.6 -66.1 -33.7 46.4 48.8 25.7 3 3 A E H 4 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.2 567,-0.0 0.863 105.2 41.1 -53.5 -40.0 42.9 50.2 26.4 4 4 A I H >> S+ 0 0 4 -3,-0.5 4,-2.4 2,-0.2 3,-0.8 0.787 110.6 55.5 -82.6 -29.5 41.5 46.7 26.4 5 5 A L H 3X S+ 0 0 43 -4,-1.4 4,-1.4 1,-0.3 5,-0.3 0.710 103.4 57.0 -71.7 -20.7 44.4 45.3 28.4 6 6 A S H 3< S+ 0 0 82 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.540 115.0 39.4 -79.0 -8.1 43.5 48.0 30.9 7 7 A Q H <> S+ 0 0 56 -3,-0.8 4,-1.0 -5,-0.2 -2,-0.3 0.650 116.7 46.7-111.8 -27.6 40.1 46.3 30.8 8 8 A L H X S+ 0 0 7 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.925 110.3 49.6 -81.7 -49.1 41.1 42.7 30.7 9 9 A N H X S+ 0 0 61 -4,-1.4 4,-1.9 1,-0.2 -3,-0.1 0.904 112.0 49.6 -57.2 -44.1 43.8 42.7 33.5 10 10 A K H > S+ 0 0 107 -5,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.919 111.9 47.6 -60.8 -46.4 41.4 44.5 35.9 11 11 A E H X S+ 0 0 72 -4,-1.0 4,-1.8 1,-0.2 -2,-0.2 0.882 109.0 54.3 -62.5 -39.8 38.6 42.0 35.1 12 12 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.862 105.1 55.0 -62.0 -35.7 41.0 39.1 35.6 13 13 A E H X S+ 0 0 101 -4,-1.9 4,-3.8 1,-0.2 -2,-0.2 0.962 105.0 52.2 -57.8 -53.0 41.8 40.7 39.0 14 14 A G H < S+ 0 0 40 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.847 109.0 51.1 -52.0 -38.9 38.1 40.5 39.9 15 15 A L H ><>S+ 0 0 36 -4,-1.8 5,-3.4 2,-0.2 3,-1.3 0.962 115.2 40.3 -63.4 -53.2 38.1 36.9 39.0 16 16 A K H ><5S+ 0 0 110 -4,-2.5 3,-1.3 4,-0.3 -2,-0.2 0.871 114.8 53.2 -63.0 -38.0 41.1 36.0 41.1 17 17 A K T 3<5S+ 0 0 193 -4,-3.8 -1,-0.3 1,-0.3 -2,-0.2 0.332 112.4 46.2 -82.9 8.6 39.8 38.3 43.9 18 18 A A T < 5S- 0 0 62 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.124 119.1-106.7-129.2 16.0 36.5 36.5 43.8 19 19 A G T < 5S+ 0 0 67 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.893 89.9 115.3 58.8 43.1 38.0 33.0 43.8 20 20 A L < + 0 0 88 -5,-3.4 2,-0.8 -8,-0.1 -4,-0.3 0.080 28.9 123.9-130.3 22.6 37.1 32.5 40.1 21 21 A Y - 0 0 78 -6,-0.4 2,-1.0 -5,-0.2 640,-0.0 -0.783 54.9-141.5 -90.3 111.2 40.5 32.2 38.4 22 22 A K + 0 0 69 -2,-0.8 2,-0.5 2,-0.0 -6,-0.0 -0.593 26.1 176.6 -73.9 101.3 40.7 29.0 36.4 23 23 A S - 0 0 77 -2,-1.0 2,-0.3 638,-0.0 -2,-0.0 -0.936 23.7-131.6-107.2 128.7 44.2 27.7 36.9 24 24 A E - 0 0 25 -2,-0.5 2,-0.3 1,-0.0 452,-0.1 -0.589 5.6-137.4 -88.7 136.5 44.9 24.3 35.3 25 25 A R - 0 0 81 451,-0.8 2,-0.7 -2,-0.3 455,-0.4 -0.629 23.8-124.5 -80.1 147.0 46.6 21.3 36.9 26 26 A I - 0 0 49 -2,-0.3 12,-2.2 453,-0.1 2,-0.7 -0.848 14.8-150.0-100.6 111.4 49.2 19.5 34.8 27 27 A I B -Ab 37 481A 1 453,-3.0 455,-0.9 -2,-0.7 10,-0.2 -0.699 9.0-169.3 -80.0 114.3 48.5 15.7 34.3 28 28 A T + 0 0 50 8,-3.1 9,-0.1 -2,-0.7 -1,-0.1 -0.176 62.8 46.9 -99.7 39.9 51.9 14.0 33.9 29 29 A S S S- 0 0 14 7,-0.2 438,-0.1 438,-0.1 3,-0.1 -0.976 93.2 -78.2-164.9 162.8 50.5 10.6 32.8 30 30 A P - 0 0 28 0, 0.0 2,-0.6 0, 0.0 6,-0.2 -0.126 66.3 -81.1 -57.7 168.4 48.0 8.9 30.5 31 31 A Q S S+ 0 0 1 436,-0.4 2,-0.3 439,-0.4 24,-0.2 -0.678 76.0 127.3 -82.6 116.6 44.4 9.0 31.6 32 32 A N S S- 0 0 54 -2,-0.6 15,-0.2 22,-0.1 12,-0.1 -0.877 74.8 -88.2-151.4-179.2 43.7 6.2 34.1 33 33 A A S S+ 0 0 11 -2,-0.3 11,-3.7 1,-0.2 2,-0.5 0.925 122.5 45.7 -62.3 -45.8 42.3 5.4 37.6 34 34 A E E S+ C 0 43A 121 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.885 81.3 164.9 -98.7 127.5 45.8 6.2 38.9 35 35 A I E - C 0 42A 3 7,-3.0 7,-3.0 -2,-0.5 2,-0.6 -0.878 37.1-118.0-134.9 168.0 47.3 9.3 37.5 36 36 A K E - C 0 41A 87 -2,-0.3 -8,-3.1 5,-0.3 2,-0.7 -0.945 21.3-171.9-110.6 113.0 50.2 11.7 38.2 37 37 A V E > S-AC 27 40A 12 3,-3.0 3,-1.9 -2,-0.6 2,-0.6 -0.917 75.5 -38.4-102.4 110.5 49.2 15.3 39.0 38 38 A G T 3 S- 0 0 32 -12,-2.2 -10,-0.1 -2,-0.7 -2,-0.0 -0.670 125.5 -33.7 69.6-118.6 52.4 17.3 39.1 39 39 A E T 3 S+ 0 0 181 -2,-0.6 2,-0.5 2,-0.0 -1,-0.3 0.401 119.2 105.4-106.3 -2.6 54.7 14.8 40.7 40 40 A K E < -C 37 0A 152 -3,-1.9 -3,-3.0 1,-0.0 2,-0.7 -0.693 64.7-142.9 -88.9 120.9 51.9 13.4 42.9 41 41 A E E +C 36 0A 146 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.3 -0.725 36.6 168.1 -78.2 114.6 50.4 10.0 42.1 42 42 A V E -C 35 0A 3 -7,-3.0 -7,-3.0 -2,-0.7 2,-0.3 -0.890 39.7-105.5-129.5 157.7 46.7 10.3 42.8 43 43 A L E -Cd 34 349A 15 305,-3.8 307,-2.5 -2,-0.3 2,-0.6 -0.620 38.8-129.8 -77.3 141.0 43.5 8.4 42.3 44 44 A N E + d 0 350A 8 -11,-3.7 307,-0.1 -2,-0.3 305,-0.1 -0.849 44.9 150.3-104.5 116.4 41.3 9.9 39.6 45 45 A F + 0 0 3 305,-1.8 324,-0.8 -2,-0.6 307,-0.3 -0.199 65.6 75.0-124.7 37.8 37.6 10.6 40.2 46 46 A C S S+ 0 0 4 322,-0.1 432,-0.1 305,-0.1 305,-0.1 0.725 70.4 86.5-115.8 -39.0 37.5 13.6 37.8 47 47 A A S S- 0 0 8 -15,-0.2 426,-0.2 1,-0.1 425,-0.1 -0.240 73.7-126.6 -76.6 156.4 37.5 12.4 34.2 48 48 A N + 0 0 16 424,-3.4 2,-2.4 193,-0.2 3,-0.2 0.005 67.7 130.8 -84.8 27.2 34.6 11.4 32.1 49 49 A N > + 0 0 7 1,-0.2 3,-1.1 422,-0.2 323,-0.3 -0.381 27.7 165.8 -77.5 61.0 36.5 8.2 31.5 50 50 A Y T 3 S+ 0 0 0 -2,-2.4 322,-1.6 1,-0.3 -1,-0.2 0.773 74.8 26.0 -54.3 -34.8 33.4 6.2 32.3 51 51 A L T 3 S- 0 0 2 192,-0.3 -1,-0.3 -3,-0.2 320,-0.1 0.362 107.5-113.8-112.8 2.9 34.6 2.9 30.9 52 52 A G S < S+ 0 0 11 -3,-1.1 3,-0.2 1,-0.1 -2,-0.1 0.866 74.4 132.9 66.8 38.0 38.3 3.4 31.3 53 53 A L > + 0 0 1 190,-0.2 3,-1.8 1,-0.2 416,-0.2 0.604 42.1 92.0 -92.3 -14.8 38.9 3.4 27.6 54 54 A A T 3 S+ 0 0 0 1,-0.3 415,-1.8 415,-0.1 416,-1.8 0.843 107.9 16.1 -49.3 -40.3 41.1 6.5 27.6 55 55 A D T 3 S+ 0 0 35 -3,-0.2 -1,-0.3 -24,-0.2 -2,-0.1 -0.105 86.9 153.0-127.1 34.9 44.2 4.3 28.0 56 56 A H X> - 0 0 27 -3,-1.8 4,-2.0 1,-0.1 3,-0.9 -0.528 42.9-139.6 -69.0 126.0 42.8 0.9 26.9 57 57 A P H 3> S+ 0 0 67 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.870 101.0 55.8 -57.4 -43.1 45.7 -1.2 25.5 58 58 A A H 3> S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.820 111.0 47.0 -58.0 -32.2 43.6 -2.6 22.7 59 59 A L H <> S+ 0 0 0 -3,-0.9 4,-2.9 2,-0.2 -1,-0.2 0.871 110.3 49.1 -78.7 -40.3 42.8 0.9 21.6 60 60 A I H X S+ 0 0 21 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.822 112.3 50.1 -70.8 -31.0 46.3 2.3 21.7 61 61 A K H X S+ 0 0 121 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.960 112.4 46.2 -65.4 -53.3 47.5 -0.7 19.7 62 62 A T H X S+ 0 0 22 -4,-1.7 4,-3.4 1,-0.2 5,-0.3 0.920 110.3 55.1 -53.2 -46.8 44.8 -0.1 17.2 63 63 A A H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.898 108.2 48.0 -52.3 -45.8 45.7 3.6 17.2 64 64 A Q H X S+ 0 0 56 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.803 115.8 45.3 -68.1 -30.2 49.3 2.7 16.4 65 65 A T H X S+ 0 0 82 -4,-1.9 4,-1.8 -3,-0.2 3,-0.4 0.928 115.6 43.4 -77.1 -48.1 48.1 0.4 13.6 66 66 A V H X S+ 0 0 11 -4,-3.4 4,-3.3 1,-0.2 5,-0.4 0.831 102.9 63.8 -72.6 -35.1 45.5 2.6 12.0 67 67 A V H X S+ 0 0 1 -4,-2.0 4,-0.8 -5,-0.3 -1,-0.2 0.857 112.4 38.8 -57.6 -34.7 47.6 5.9 12.0 68 68 A E H < S+ 0 0 104 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.862 116.4 51.8 -79.9 -39.1 50.0 4.2 9.7 69 69 A Q H < S+ 0 0 91 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.852 127.5 20.2 -66.8 -36.5 47.2 2.4 7.7 70 70 A Y H < S- 0 0 40 -4,-3.3 358,-0.4 1,-0.3 -1,-0.2 0.448 109.2-117.3-115.4 -4.5 45.2 5.6 7.1 71 71 A G < - 0 0 0 -4,-0.8 -1,-0.3 -5,-0.4 381,-0.2 -0.256 29.3 -83.4 88.3 178.5 47.8 8.4 7.6 72 72 A F S S+ 0 0 0 379,-2.3 206,-0.4 1,-0.2 2,-0.3 0.829 99.9 8.1 -92.9 -37.4 47.8 11.1 10.2 73 73 A G - 0 0 0 378,-1.1 355,-0.5 203,-0.1 571,-0.3 -0.953 42.2-155.6-145.1 162.3 45.6 13.7 8.6 74 74 A X - 0 0 1 569,-1.5 371,-0.2 -2,-0.3 372,-0.2 0.607 27.3-152.1-109.3 -22.8 43.3 14.3 5.6 75 75 A A + 0 0 0 568,-1.6 370,-2.5 199,-0.2 2,-0.3 0.923 62.4 80.1 47.1 57.6 43.7 18.1 5.5 76 76 A S S S- 0 0 3 567,-0.3 198,-2.3 368,-0.2 -1,-0.1 -0.930 83.0 -95.3-179.1 153.5 40.2 18.6 4.0 77 77 A V >> - 0 0 25 -2,-0.3 5,-1.4 196,-0.2 4,-0.7 -0.476 47.5-104.2 -75.7 154.4 36.5 18.7 4.7 78 78 A R I 4>S+ 0 0 6 194,-0.5 5,-0.7 191,-0.4 4,-0.4 0.865 117.9 55.1 -44.8 -46.0 34.5 15.5 4.3 79 79 A F I 45S+ 0 0 51 190,-0.3 343,-0.6 3,-0.2 -1,-0.2 0.913 111.1 39.9 -59.2 -50.2 33.0 16.8 1.0 80 80 A I I 45S- 0 0 10 -3,-0.4 342,-0.3 341,-0.1 -2,-0.1 0.988 139.1 -42.3 -66.8 -83.0 36.2 17.5 -0.8 81 81 A C I <5S+ 0 0 0 -4,-0.7 -3,-0.2 362,-0.1 -2,-0.1 -0.051 112.4 95.2-142.0 33.7 38.7 14.8 -0.1 82 82 A G I < + 0 0 0 -5,-1.4 2,-0.5 -4,-0.4 -4,-0.3 0.320 58.4 97.5-110.5 5.3 38.3 14.2 3.6 83 83 A T < + 0 0 0 -5,-0.7 341,-2.6 339,-0.3 2,-0.2 -0.849 49.3 175.2-100.0 129.2 35.9 11.3 3.6 84 84 A Q B > -e 424 0B 2 -2,-0.5 4,-1.6 339,-0.2 5,-0.2 -0.740 48.2 -97.8-124.9 173.2 37.2 7.8 3.9 85 85 A T H > S+ 0 0 58 339,-0.7 4,-1.7 -2,-0.2 5,-0.1 0.822 122.6 57.5 -58.9 -32.2 35.9 4.2 4.2 86 86 A I H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.953 102.4 52.6 -61.9 -51.9 36.4 4.6 8.0 87 87 A H H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.900 112.9 42.0 -55.3 -50.1 34.1 7.6 8.3 88 88 A K H X S+ 0 0 66 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.874 116.5 51.0 -65.0 -36.3 31.1 6.0 6.5 89 89 A E H X S+ 0 0 82 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.888 110.8 46.8 -68.7 -41.2 31.7 2.8 8.4 90 90 A L H X S+ 0 0 2 -4,-3.3 4,-2.9 2,-0.2 5,-0.2 0.929 113.5 47.8 -66.9 -45.9 31.9 4.5 11.8 91 91 A E H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.2 0.859 113.0 51.1 -60.9 -35.2 28.7 6.5 11.0 92 92 A K H X S+ 0 0 117 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.863 112.7 44.5 -68.9 -38.4 27.2 3.2 9.8 93 93 A D H X S+ 0 0 24 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.889 108.4 54.9 -76.4 -41.3 28.1 1.4 13.0 94 94 A I H X S+ 0 0 8 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.899 108.9 50.9 -56.4 -40.9 27.1 4.1 15.4 95 95 A S H X>S+ 0 0 6 -4,-1.4 5,-2.8 -5,-0.2 4,-1.8 0.892 110.9 47.8 -64.4 -40.4 23.7 4.0 13.8 96 96 A E H <5S+ 0 0 131 -4,-1.3 -2,-0.2 3,-0.2 -1,-0.2 0.905 113.3 48.9 -65.5 -42.0 23.6 0.2 14.2 97 97 A F H <5S+ 0 0 31 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.942 121.3 33.4 -62.1 -50.7 24.6 0.6 17.9 98 98 A L H <5S- 0 0 23 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.695 112.3-119.5 -79.3 -20.4 22.0 3.2 18.7 99 99 A G T <5 + 0 0 44 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.957 64.3 133.9 77.7 57.4 19.5 1.7 16.3 100 100 A T < - 0 0 34 -5,-2.8 -1,-0.2 1,-0.1 155,-0.1 -0.837 65.9-110.0-133.0 170.0 19.1 4.6 13.9 101 101 A D S S- 0 0 79 -2,-0.3 2,-0.3 1,-0.2 154,-0.2 0.929 89.0 -21.7 -68.1 -48.7 18.9 5.3 10.2 102 102 A D E -I 254 0C 35 152,-2.0 152,-2.3 -7,-0.1 2,-0.3 -0.982 54.3-138.2-158.2 164.8 22.2 7.2 9.8 103 103 A T E -I 253 0C 0 -2,-0.3 2,-0.5 150,-0.2 150,-0.2 -0.971 9.5-145.3-130.6 145.3 24.8 9.2 11.7 104 104 A I E -I 252 0C 0 148,-2.8 148,-1.3 -2,-0.3 2,-0.3 -0.948 20.5-133.9-112.8 129.5 26.8 12.4 10.8 105 105 A L E +I 251 0C 6 -2,-0.5 2,-0.3 146,-0.2 146,-0.2 -0.624 25.7 176.1 -87.9 134.5 30.3 12.8 12.1 106 106 A Y E -I 250 0C 5 144,-2.6 144,-2.0 -2,-0.3 3,-0.1 -0.836 44.9-112.9-125.8 167.0 31.6 16.0 13.7 107 107 A S S S- 0 0 14 -2,-0.3 142,-2.2 142,-0.3 2,-0.3 0.684 101.0 -9.1 -69.8 -17.1 34.9 17.0 15.2 108 108 A S > - 0 0 6 141,-0.2 4,-1.2 140,-0.2 142,-0.5 -0.966 66.3-108.2-163.7 172.8 33.0 17.2 18.5 109 109 A C H > S+ 0 0 8 140,-0.4 4,-1.9 -2,-0.3 5,-0.2 0.703 116.7 65.6 -81.4 -22.9 29.5 17.0 20.0 110 110 A F H > S+ 0 0 21 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.915 108.2 37.3 -61.5 -45.4 30.0 20.8 20.6 111 111 A D H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.852 110.0 62.8 -73.5 -36.3 30.0 21.4 16.9 112 112 A A H < S+ 0 0 0 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.858 109.7 40.8 -56.9 -37.0 27.3 18.7 16.4 113 113 A N H >X S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 4,-0.7 0.828 111.2 55.6 -80.0 -35.3 25.0 20.8 18.5 114 114 A G H 3< S+ 0 0 17 -4,-1.5 4,-0.3 1,-0.3 -2,-0.2 0.796 111.8 46.6 -65.2 -28.3 26.1 24.1 16.9 115 115 A G T 3< S+ 0 0 2 -4,-2.2 -1,-0.3 151,-0.1 -2,-0.1 -0.374 100.4 69.4-112.4 52.5 25.2 22.6 13.5 116 116 A L T <> S+ 0 0 0 -3,-0.9 4,-1.8 -2,-0.1 5,-0.2 0.605 95.8 35.4-125.4 -63.8 21.8 21.1 14.2 117 117 A F H X S+ 0 0 0 -4,-0.7 4,-3.0 2,-0.2 3,-0.2 0.955 113.0 54.3 -66.7 -55.3 19.0 23.7 14.8 118 118 A E H 4 S+ 0 0 56 22,-0.5 -1,-0.2 25,-0.3 27,-0.1 0.849 114.3 45.3 -46.7 -39.0 20.1 26.4 12.4 119 119 A T H 4 S+ 0 0 22 1,-0.1 -1,-0.3 3,-0.0 -2,-0.2 0.886 124.7 30.1 -73.8 -40.3 20.1 23.8 9.7 120 120 A L H < S+ 0 0 19 -4,-1.8 2,-0.3 -3,-0.2 -2,-0.2 0.918 116.1 47.0 -90.5 -49.2 16.8 22.1 10.6 121 121 A L < - 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